[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate

C16H13Cl2NO3 — CID 2624351

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-3-1-5-11(13)9-19-15(20)10-22-16(21)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,20)
InChIKeyIEBCARCFKNYQBV-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.47
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2624351) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
PubChem CID2624351
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-3-1-5-11(13)9-19-15(20)10-22-16(21)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,20)
InChIKeyIEBCARCFKNYQBV-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691757
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2555023
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2353384
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503054
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 2417667
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate
CID 7959943
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580848
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7364201
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468025
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613260
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate (CID 2624351) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate is O=C(COC(=O)c1ccccc1Cl)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is IEBCARCFKNYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-13-7-3-1-5-11(13)9-19-15(20)10-22-16(21)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 338.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2624351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).